(E)-3-[1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]prop-2-enoic acid

C12H15NO4 — CID 82524768

IUPAC(E)-3-[1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]prop-2-enoic acid
SMILESCOCCn1c(C)ccc(/C=C/C(=O)O)c1=O
InChIInChI=1S/C12H15NO4/c1-9-3-4-10(5-6-11(14)15)12(16)13(9)7-8-17-2/h3-6H,7-8H2,1-2H3,(H,14,15)/b6-5+
InChIKeyZOAKDYSJWGKHNU-AATRIKPKSA-N
MW237.25 g/mol
LogP0.90
Rot. Bonds5

About (E)-3-[1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]prop-2-enoic acid

(E)-3-[1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]prop-2-enoic acid (PubChem CID 82524768) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is (E)-3-[1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]prop-2-enoic acid
PubChem CID82524768
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name(E)-3-[1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]prop-2-enoic acid
SMILESCOCCn1c(C)ccc(/C=C/C(=O)O)c1=O
InChIInChI=1S/C12H15NO4/c1-9-3-4-10(5-6-11(14)15)12(16)13(9)7-8-17-2/h3-6H,7-8H2,1-2H3,(H,14,15)/b6-5+
InChIKeyZOAKDYSJWGKHNU-AATRIKPKSA-N
XLogP0.90
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-Methoxypropyl)-2-oxo-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 171484190
4,6-Dimethyl-2-oxo-1-[2-(trifluoromethoxy)ethyl]pyridine-3-carboxylic acid
CID 65805871
1-(2-Methoxy-2-oxoethyl)-6-oxo-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 154357622
5-Ethyl-1-methyl-6-oxopyridine-2-carboxylic acid
CID 13597169
1,1-bis(2-methoxyethyl)-2H-pyridin-1-ium-4,6-dicarboxylic acid
CID 19888484
(E)-3-(1-ethoxycarbonyl-3,4-dihydro-2H-pyridin-6-yl)prop-2-enoic acid
CID 23568791
(E)-3-(1-ethoxycarbonyl-3,6-dihydro-2H-pyridin-5-yl)prop-2-enoic acid
CID 23631008
1-(2-Methoxyethyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 29045651
1-(2-Ethoxyethyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 43457268
1-(2-Methoxyethyl)-2-oxo-1,2-dihydropyridine-4-carboxylic acid
CID 44600576
2-(2,4-Dimethyl-6-oxo-1-pyridinyl)ethyl 2-methylprop-2-enoate
CID 54028244
2-(2,4-Dimethyl-6-oxo-1-pyridinyl)ethyl prop-2-enoate
CID 54121706

Frequently Asked Questions

What is the IUPAC name of (E)-3-[1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]prop-2-enoic acid (CID 82524768) is (E)-3-[1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]prop-2-enoic acid is COCCn1c(C)ccc(/C=C/C(=O)O)c1=O.
What is the InChIKey of (E)-3-[1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]prop-2-enoic acid?
The InChIKey is ZOAKDYSJWGKHNU-AATRIKPKSA-N. The full InChI is InChI=1S/C12H15NO4/c1-9-3-4-10(5-6-11(14)15)12(16)13(9)7-8-17-2/h3-6H,7-8H2,1-2H3,(H,14,15)/b6-5+.
What are the key properties of (E)-3-[1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]prop-2-enoic acid?
(E)-3-[1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]prop-2-enoic acid has a molecular weight of 237.25 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]prop-2-enoic acid is sourced from PubChem (CID 82524768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).